2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid
TL;DR: 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid (CAS 3249-68-1) is a chemical compound with molecular formula C9H3F7O2 and molecular weight 276.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetic acid
Also Known As: 4-(perfluorotolyl)acetic acid, (4-Perfluorotolyl)acetic acid, [2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetic acid, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid, [1(3h)-isoindolinone-3-yl]acetic acid
| Molecular Formula | C9H3F7O2 |
|---|---|
| Molecular Weight | 276.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.00214 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 3249-68-1 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)C(=O)O |
| InChIKey | XFHNUTKYNIQKJU-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid (CAS 3249-68-1), with molecular formula C9H3F7O2 and molecular weight 276.00 g/mol. IUPAC: 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid
Property Insights of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid?
The CAS number of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid is 3249-68-1.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid?
The molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid is C9H3F7O2.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid?
The molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid is 276.00 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid?
You can request a quote for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.